Name: 1-(4-bromo-2-fluoro-phenyl)-cyclobutanecarbonitrile
SMILES:
N#CC1(c2ccc(Br)cc2F)CCC1Molecular Processing
Molecular formula
C11H9BrFN
Molecular weight
254.1
Exact mass
252.9902
XLogP
3.53
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
55.24
Supplementary Information
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